piperidin-4-yl 2-iminopentanoate

C10H18N2O2 — CID 174702332

IUPACpiperidin-4-yl 2-iminopentanoate
SMILES[H]/N=C(\CCC)C(=O)OC1CCNCC1
InChIInChI=1S/C10H18N2O2/c1-2-3-9(11)10(13)14-8-4-6-12-7-5-8/h8,11-12H,2-7H2,1H3/b11-9+
InChIKeyNJFVMFLQMBSQAU-PKNBQFBNSA-N
MW198.27 g/mol
LogP1.10
Rot. Bonds4

About piperidin-4-yl 2-iminopentanoate

piperidin-4-yl 2-iminopentanoate (PubChem CID 174702332) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is piperidin-4-yl 2-iminopentanoate.

Molecular Properties

Compound Namepiperidin-4-yl 2-iminopentanoate
PubChem CID174702332
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Namepiperidin-4-yl 2-iminopentanoate
SMILES[H]/N=C(\CCC)C(=O)OC1CCNCC1
InChIInChI=1S/C10H18N2O2/c1-2-3-9(11)10(13)14-8-4-6-12-7-5-8/h8,11-12H,2-7H2,1H3/b11-9+
InChIKeyNJFVMFLQMBSQAU-PKNBQFBNSA-N
XLogP1.10
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 2-iminopentanoate?
The IUPAC name of piperidin-4-yl 2-iminopentanoate (CID 174702332) is piperidin-4-yl 2-iminopentanoate.
What is the SMILES notation for piperidin-4-yl 2-iminopentanoate?
The canonical SMILES for piperidin-4-yl 2-iminopentanoate is [H]/N=C(\CCC)C(=O)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl 2-iminopentanoate?
The InChIKey is NJFVMFLQMBSQAU-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-3-9(11)10(13)14-8-4-6-12-7-5-8/h8,11-12H,2-7H2,1H3/b11-9+.
What are the key properties of piperidin-4-yl 2-iminopentanoate?
piperidin-4-yl 2-iminopentanoate has a molecular weight of 198.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 2-iminopentanoate is sourced from PubChem (CID 174702332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).